1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane

C6H14ClO7PS2 — CID 13169990

IUPAC1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane
SMILESCS(=O)(=O)CCOP(=O)(Cl)OCCS(C)(=O)=O
InChIInChI=1S/C6H14ClO7PS2/c1-16(9,10)5-3-13-15(7,8)14-4-6-17(2,11)12/h3-6H2,1-2H3
InChIKeyRNFASXGUTATXDS-UHFFFAOYSA-N
MW328.73 g/mol
LogP0.46
Rot. Bonds8

About 1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane

1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane (PubChem CID 13169990) has the molecular formula C6H14ClO7PS2 and a molecular weight of 328.73 g/mol. Its IUPAC name is 1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane.

Molecular Properties

Compound Name1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane
PubChem CID13169990
Molecular FormulaC6H14ClO7PS2
Molecular Weight328.73 g/mol
Exact Mass327.96
IUPAC Name1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane
SMILESCS(=O)(=O)CCOP(=O)(Cl)OCCS(C)(=O)=O
InChIInChI=1S/C6H14ClO7PS2/c1-16(9,10)5-3-13-15(7,8)14-4-6-17(2,11)12/h3-6H2,1-2H3
InChIKeyRNFASXGUTATXDS-UHFFFAOYSA-N
XLogP0.46
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane?
The IUPAC name of 1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane (CID 13169990) is 1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane.
What is the SMILES notation for 1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane?
The canonical SMILES for 1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane is CS(=O)(=O)CCOP(=O)(Cl)OCCS(C)(=O)=O.
What is the InChIKey of 1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane?
The InChIKey is RNFASXGUTATXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClO7PS2/c1-16(9,10)5-3-13-15(7,8)14-4-6-17(2,11)12/h3-6H2,1-2H3.
What are the key properties of 1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane?
1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane has a molecular weight of 328.73 g/mol, XLogP of 0.46, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(2-methylsulfonylethoxy)phosphoryl]oxy-2-methylsulfonylethane is sourced from PubChem (CID 13169990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).